SCHEMBL30007780

SCHEMBL30007780

Cc1cccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
ADRA1D P25100 1/20 0.46
F10 P00742 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6693347 0.85 PLA2G2A (0.51) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D
SCHEMBL2580436 0.85 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D
SCHEMBL29029780 0.84 ADRA1D (0.46) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D
SCHEMBL30410966 0.84 ADRA1D (0.46) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D
SCHEMBL7054203 0.82 ADRA1D (0.49) AURKAADRA1D
SCHEMBL7050803 0.82 ADRA1D (0.44) ALDH1A1MEN1KMT2AL3MBTL1AURKA
SCHEMBL6691732 0.82 ADRA1D (0.44) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D
SCHEMBL6774185 0.81 TP53 (0.47) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D
SCHEMBL27506423 0.81 ADRA1D (0.43) ALDH1A1MEN1KMT2AL3MBTL1AURKA
SCHEMBL5388266 0.80 NPSR1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1ADRA1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS OPHIREX INC (US) 2022-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS PLA2G12A, PLA2G3, PLA2G1B ALDH1A1 2661/4885MEN1 4857/4885KMT2A 191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.